1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one

C16H11F3N2O2 — CID 99825349

IUPAC1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one
SMILESCOc1cc2c(=O)ncn(Cc3cc(F)cc(F)c3)c2cc1F
InChIInChI=1S/C16H11F3N2O2/c1-23-15-5-12-14(6-13(15)19)21(8-20-16(12)22)7-9-2-10(17)4-11(18)3-9/h2-6,8H,7H2,1H3
InChIKeyAYFQWKLGDQGLCF-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.87
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one

1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one (PubChem CID 99825349) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one
PubChem CID99825349
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one
SMILESCOc1cc2c(=O)ncn(Cc3cc(F)cc(F)c3)c2cc1F
InChIInChI=1S/C16H11F3N2O2/c1-23-15-5-12-14(6-13(15)19)21(8-20-16(12)22)7-9-2-10(17)4-11(18)3-9/h2-6,8H,7H2,1H3
InChIKeyAYFQWKLGDQGLCF-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
Dictyoquinazol A
CID 637050
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
Yil781
CID 23631116
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
5-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11675333
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151209
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-8-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151210
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6,7-difluoro-2-methyl-4(3H)-quinazolinone
CID 23151246
8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151331

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one (CID 99825349) is 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one is COc1cc2c(=O)ncn(Cc3cc(F)cc(F)c3)c2cc1F.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one?
The InChIKey is AYFQWKLGDQGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-15-5-12-14(6-13(15)19)21(8-20-16(12)22)7-9-2-10(17)4-11(18)3-9/h2-6,8H,7H2,1H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one?
1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one has a molecular weight of 320.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-7-fluoro-6-methoxyquinazolin-4-one is sourced from PubChem (CID 99825349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).